2D structurePubChem CID 10173103
Identità
X-alpha-Gal
Non indicato · C14H15BrClNO6
01Identità
| Lazychem ID | LC-81141 |
|---|---|
| CAS RN | Non indicato |
| PubChem CID | 10173103 |
| Molecular formula | C14H15BrClNO6 |
| Molecular weight | 408.63 g/mol |
| IUPAC name | (2R,3R,4S,5R,6R)-2-[(5-bromo-4-chloro-1H-indol-3-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol |
| InChIKey | OPIFSICVWOWJMJ-YGEXGZRRSA-N |
02Struttura e stereochimica
2D structurePubChem CID 10173103
The parsed structure contains 3 rings, includes aromatic atoms, includes aliphatic carbon, has 5 defined stereocentres, contains at least one halogen atom. These statements are calculated from the published structure string.
| Defined stereocentres | 5 |
|---|---|
| Ring count | 3 |
| Secondary amines | 0 |
| Tertiary amines | 0 |
| SMILES | C1=CC(=C(C2=C1NC=C2O[C@@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)Cl)Br |
|---|---|
| InChI | Non indicato |
03Stereochemistry
The published structure contains 5 defined and 0 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.
Defined centres5Structure assigned
Unassigned centres0Structure unspecified
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 32Before symmetry reduction
Published same-connectivity configurations
2 recordsThese records have the same connectivity, molecular formula and protonation layer, but a different complete InChIKey stereochemical layer. Only separately structure-linked records are shown.
2D structurePubChem CID 2733916
5-bromo-4-chloro-1H-indol-3-yl alpha-D-glucopyranoside
CAS not listed
OPIFSICVWOWJMJ-HRNXZZBMSA-N
5 defined, 0 unassigned centres
Scope: The mathematical 2^n value is only an upper bound. Symmetry and other stereogenic elements can change the number of distinct stereoisomers. A hypothetical configuration is not published as a compound record without a verified structure identity.
04Stato in India
Exact-compound status is evaluated only against the published name and CAS number. Confirm the current official instrument before a regulatory decision.
05Nomi e relazioni
API e farmaco progenitore
Non indicato
Nomi e relazioni
06Fonti
- S01PubChem CID 10173103
Structure and machine-readable chemical identifiers.